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Sn2Rh3S2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078054 · Space group: R-3m (#166)

Basic Information

Formula
Sn2Rh3S2
MP-ID
mp-1078054
Elements
3
Sites
7
Density
8.1277
g/cm³
Volume
124.68
ų
Cell a
5.5244
Å
Cell b
5.5244
Å
Cell c
5.5244
Å
α Angle
62.05
°
β Angle
62.05
°
γ Angle
62.05
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.19 4.6249 11.9 (0,0,1)
19.19 4.6248 11.9 (1,0,0)
19.19 4.6248 11.9 (0,1,0)
20.00 4.4395 100.0 (1,1,1)
22.43 3.9633 5.0 (1,1,0)
22.43 3.9632 5.0 (0,1,1)
22.43 3.9632 5.0 (1,0,1)
31.42 2.8474 17.9 (1,0,-1)
31.42 2.8473 17.9 (0,1,-1)
31.42 2.8473 17.9 (1,-1,0)
32.44 2.7596 12.3 (2,1,1)
32.44 2.7596 12.3 (1,1,2)
32.44 2.7596 12.3 (1,2,1)
37.08 2.4247 30.4 (1,1,-1)
37.08 2.4247 30.4 (1,-1,-1)
37.08 2.4246 30.4 (1,-1,1)
37.53 2.3968 5.8 (2,1,0)
37.53 2.3968 5.8 (0,1,2)
37.53 2.3967 5.8 (1,2,0)
37.53 2.3967 5.8 (1,0,2)
37.53 2.3967 5.8 (0,2,1)
37.53 2.3967 5.8 (2,0,1)
38.95 2.3124 61.0 (0,0,2)
38.95 2.3124 61.0 (2,0,0)
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Energy Properties

Formation Energy/atom
-0.63510
eV/atom
Energy/atom
-6.11893
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.2533
eV/atom
Volume/atom
17.81
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.5847
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.004690
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.429
Element Family
4d-TM
Solute Fraction
0.571
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0790
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9707
J/mol·K
Ω Parameter
96.5751
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.208%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2344
smaller = more stable mixing
VEC
6.714
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.113
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9821
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Rh-rich Multi-Component
Matrix Element
Rh · 0.429

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1078054
Reference Citation

The crystal structure and related material properties of Sn2Rh3S2 were obtained from the Materials Project database (MP-ID: mp-1078054, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sn2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52440865
_cell_length_b   5.52438597
_cell_length_c   5.52440428
_cell_angle_alpha   62.04930338
_cell_angle_beta   62.05038720
_cell_angle_gamma   62.04871803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Rh3S2
_chemical_formula_sum   'Sn2 Rh3 S2'
_cell_volume   124.68073673
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sn  Sn0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh2  1  -0.00000000  -0.00000000  0.50000000  1.0
  Rh  Rh3  1  0.50000000  -0.00000000  -0.00000000  1.0
  Rh  Rh4  1  -0.00000000  0.50000000  -0.00000000  1.0
  S  S5  1  0.71244054  0.71240897  0.71245043  1.0
  S  S6  1  0.28755946  0.28759103  0.28754957  1.0
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